(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CC7
File name: alatis_output_compound.sdf
|
Formula: C9H12N3O7P1 Compound mass: 305.1808000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.50
List of identified carbohydrate fragments:
-
C5H7N1O4
Fragment probability: 1.00
Fragment mass: 145.1131
Fragment main chain atoms: [6, 7, 4, 18, 8]
Fragment all atoms: [6, 26, 13, 31, 7, 27, 19, 4, 25, 3, 23, 24, 17, 18, 8, 28, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| CC7 | 3ESJ 5KHG |
| RPC | 4I67 |
| CCC | 6DLR 6DMD 3DIG 3SKR 3SKL 4V7K 1QZW 3OXE 3SKI 3OWW 3DIX 3F30 3F2Y 2QUW 3F2T 5LYS 4WFM 3KIX 3SLQ 3RW6 3SKT 3OXM 3DIZ 3OXB 3DJ2 3OWZ 6DMC 6UFG 3DIQ 1MFQ 4UYJ 6UFH 3SKW 4TS2 488D 3SLM 5LYV 3DIR 3SKZ 1DUL 4TS0 3DIL 3KIU 1HQ1 4UYK 6DME 3LQX 3DIM 3F2W 4NYA 3DJ0 3SUX 3DIS 4WFL 3OXJ 3OX0 3DIO 3OWI 3DIY 3OXD 3F2X 1L9A 6DLT 1RY1 3F2Q 2GDI 1Y27 5LYU 4GXY 6DLS 6DLQ 3SUY 3SUH 6DNR |
| C25 | |
| LC |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.